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Home > Indoles and Oxindole > 183426-28-0
183426-28-0 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-methyl-1-(nitromethyl)-
CAS No: 183426-28-0 Catalog No: AG0027K2 MDL No:
Product Description
Catalog Number:
AG0027K2
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-methyl-1-(nitromethyl)-
CAS Number:
183426-28-0
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
1-methyl-1-(nitromethyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
InChI:
InChI=1S/C13H15N3O2/c1-13(8-16(17)18)12-10(6-7-14-13)9-4-2-3-5-11(9)15-12/h2-5,14-15H,6-8H2,1H3
InChI Key:
NJBQBIHRZBYITE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC1(C)NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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